File name: Pandora55s1_QueensNY_20241226_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241227T050458.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241226_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20241226 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20241226T132354.4Z 9126.558269 190 1 8.44 2 80.81 131.98 60.99 181.78 0.00 1 0.00 1 0 25 5.172e-01 2.980e-02 2.892e-01 1.427e-02 6.211816e-01 7.938051e-03 7.003847e-03 -6.000000e+00 3.157791e-01 223.17 -2.00 3.51 -2.00 320.96 0.00e+00 9.452773e-03 3.454544e-03 7.566984e-04 -6.000000e+00 1.532315e-02 276.50 -2.00 20.00 -2.00 320.47 0.00e+00 5.949 0.004 302.00 328.00 3 2.2645e+00 2.5089e-02 6.7896e-02 -6.0000e+00 7.8322e-01 2.4517e-01 3.2483e-02 3.6701e-02 -6.0000e+00 8.5842e-01 -3.4174e-01 3.1040e-02 1.8891e-02 -6.0000e+00 4.9931e-01 1.4858e-01 1.5178e-02 1.2853e-02 -6.0000e+00 2.0582e-01 7.9799e-05 -3.7898e-04 4.4483e-04 1.3174e-04 -6.0000e+00 1.6271e-02 -3.7242e-03 0.0000e+00 12 9 9 12 1 1 -88363.40 19.73 0.37 -0.00372 -0.00657 3 5 1 5 0 2108.780 25.90 19.98 19.73 2.11 35.1 1030.46 311116 -74712 900000 -206872 900000 900000 900000 900000 900000 900000 -172428 -111534 -148576 66048 900000 97814 -88107 184097 900000 900000 -50827 54860 50634 -63382 88559 -12025 900000 34091 -47603 -69431 28907 9353 72559 -6321 41356 900000 -1531 -5155 59813 14365 -375 41725 -16253 10121 -21538 89829 -9996 56248 40670 59235 14533 -1358 -8327 7786 51127 15327 45898 24632 29539 -3715 -4937 33006 10487 -7216 17603 -13529 10106 5443 6285 6209 -1622 6038 18730 -7997 17215 -1046 9880 10159 324 -4500 -7546 6332 -6768 -51 -1626 871 -7266 76 -4242 932 -1446 -2634 1273 1371 -430 -434 -3959 602 -283 -760 -838 -409 -78 1950 1191 -1092 -2183 -3494 -746 2822 675 -3341 761 -774 -2654 745 -10 901 -333 -318 29 -338 2508 2646 475 1540 555 325 1490 -1046 1951 959 2119 594 833 -745 741 254 -13 -1838 -1090 -77 241 -1515 4320 -1037 900000 -10006 900000 900000 900000 900000 900000 900000 -6445 -2545 -5780 917 900000 1358 -4358 2556 900000 900000 -2292 917 875 -3285 1230 -415 900000 767 -2307 -4311 803 371 1855 -372 1588 900000 -88 -338 2502 1076 -36 2991 -2118 1075 -3162 4793 -1385 4333 3761 4859 1933 -229 -1646 1431 6675 2905 6742 4425 5019 -842 -1146 5682 2458 -2233 4738 -4987 2968 1661 1981 2159 -672 2517 7153 -3800 6184 -411 3235 3169 115 -1849 -3700 3129 -4175 -32 -1092 605 -5710 58 -3464 728 -1114 -1956 865 908 -300 -333 -3530 583 -306 -876 -970 -450 -79 1847 1142 -1118 -2374 -4020 -890 3514 929 -5098 1175 -1215 -4121 1088 -14 1285 -494 -495 46 -542 3852 3959 706 2208 782 451 2106 -1623 3235 1712 3946 1159 1691 -1598 1627 572 -29 -4252 -2458 -167 499 -3112 SS 20241226T133610.8Z 9126.566792 196 1 50.48 2 79.11 134.26 61.16 185.00 0.00 1 0.00 1 0 25 2.005e-01 6.488e-03 4.431e-02 1.186e-03 5.693642e-01 6.195814e-04 6.575167e-03 -6.000000e+00 1.168164e-01 223.17 -2.00 3.51 -2.00 320.23 0.00e+00 1.719357e-03 2.206300e-04 8.797930e-04 -6.000000e+00 5.129367e-03 276.50 -2.00 20.00 -2.00 319.69 0.00e+00 5.103 0.002 302.00 328.00 3 5.1354e-01 1.8243e-03 5.8522e-02 -6.0000e+00 2.8755e-01 4.1486e-02 2.2707e-03 3.0380e-02 -6.0000e+00 3.1295e-01 -2.7395e-02 2.1432e-03 1.5129e-02 -6.0000e+00 1.8657e-01 1.7062e-03 1.0924e-03 4.9859e-03 -6.0000e+00 7.8623e-02 1.1234e-03 -8.4263e-04 3.5330e-05 5.7346e-05 -6.0000e+00 5.9750e-03 7.1697e-03 0.0000e+00 11 8 0 10 0 0 71.76 19.73 0.25 0.00717 0.00084 244 46 1 5 0 206.840 25.90 19.98 19.73 2.93 35.4 1030.77 -101528 -79872 29485 -79065 -40848 -40632 -67520 60181 -42040 -57433 -67603 -58594 -45125 -38763 15738 -13830 -17785 -27971 12074 -997 -17660 447 -3867 -15068 -7546 -5855 12913 -7384 -9542 -15582 -7305 233 -842 -3701 -2545 5910 -3224 -5058 3010 294 -2080 56 -1922 -1562 -1229 2612 -1563 1217 114 3083 1907 1722 879 3131 2378 1624 1931 189 1151 -30 381 2171 2315 384 998 -91 1353 823 1460 1338 361 286 -354 -549 -249 -378 152 1003 774 -326 -356 -271 -1621 -1549 -1282 -1247 -1127 -656 -719 -569 315 471 744 1468 1294 1211 588 792 -189 -279 -378 -275 145 822 -364 -956 -607 -766 -135 140 -93 -456 -148 -100 -53 567 937 895 392 -192 -839 -257 -166 -180 -210 20 283 1490 693 147 355 123 340 -22 232 -471 -112 127 -446 -461 -161 -1 101 254 -1260 -958 143 -1048 -352 -371 -767 237 -477 -840 -1173 -1023 -821 -832 245 -349 -537 -1038 328 -33 -721 16 -145 -675 -343 -281 532 -371 -484 -860 -411 14 -56 -278 -194 408 -254 -465 309 38 -315 9 -316 -267 -214 446 -284 220 22 592 400 401 228 868 713 517 637 64 387 -10 128 753 825 156 440 -42 596 361 666 682 195 168 -216 -330 -141 -210 77 475 377 -180 -214 -188 -1199 -1245 -1096 -1137 -1028 -626 -702 -550 290 431 637 1206 1101 1143 602 873 -236 -353 -478 -344 165 923 -418 -1111 -746 -996 -176 199 -139 -710 -241 -161 -83 872 1378 1320 604 -300 -1373 -419 -263 -290 -326 30 427 2163 1047 233 596 215 629 -43 456 -952 -238 276 -992 -1026 -348 -1 205 500 SS 20241226T134205.5Z 9126.570898 199 1 50.49 2 78.32 135.38 61.29 186.55 0.00 1 0.00 1 0 25 1.259e-01 6.114e-03 2.494e-02 9.654e-04 5.375869e-01 5.016925e-04 6.259344e-03 -6.000000e+00 7.333367e-02 223.17 -2.00 3.51 -2.00 320.00 0.00e+00 1.664528e-03 1.653177e-04 8.462938e-04 -6.000000e+00 3.220155e-03 276.50 -2.00 20.00 -2.00 319.45 0.00e+00 4.783 0.002 302.00 328.00 3 4.5849e-01 1.4485e-03 5.4920e-02 -6.0000e+00 1.8051e-01 3.7248e-02 1.7589e-03 2.8559e-02 -6.0000e+00 1.9646e-01 -1.5510e-02 1.5844e-03 1.4073e-02 -6.0000e+00 1.1712e-01 -4.2374e-03 8.1886e-04 4.6091e-03 -6.0000e+00 4.9355e-02 1.6540e-03 -8.0510e-04 2.8830e-05 5.3521e-05 -6.0000e+00 3.7511e-03 7.4708e-03 0.0000e+00 10 0 0 10 0 0 95.04 19.73 0.21 0.00747 0.00142 330 62 1 5 0 152.980 25.90 20.02 19.73 3.37 35.4 1031.48 -55639 -56544 14582 -67353 -22811 -37618 -43432 6677 -20400 -32244 -46014 -27510 -28404 -19668 2635 -9507 -14470 -14125 5985 3307 -13321 -1447 -4027 -10286 -4101 -7107 4850 -8426 -5738 -9116 -2585 -108 1706 -3211 -386 3288 -3537 -2846 1496 364 -2339 -284 -2532 -1191 -435 1370 -1200 1092 106 1997 866 986 1517 2299 2162 542 1512 11 768 114 1015 2357 1783 501 229 65 955 842 1314 1473 113 54 -375 -746 -484 31 393 980 963 -210 -63 -406 -1527 -1324 -1374 -1190 -919 -481 -541 -350 -67 496 548 1601 1262 1118 849 962 -281 -392 -251 -413 307 753 -211 -1012 -392 -825 -43 25 -208 -506 -225 -42 -42 686 898 889 420 -330 -847 -311 -190 -328 58 -78 335 1390 882 95 409 43 319 131 142 -338 -127 145 -415 -519 -172 -118 108 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